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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A1
Species	Mus musculus (Mouse)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSEVEQAWIANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIEEDIPEEKADD
UniProt	Q60612
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3688
IUPHAR	18
DrugBank	N/A

Ligand

Name	FK-838
Molecular formula	C21H18N4O3
IUPAC name	4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoic acid
Molecular weight	374.4
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	SCHEMBL2641189 1(6H)-Pyridazinebutanoicacid, 6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)- 6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazinebutyric acid CTK0H8748 4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1(6H)-yl)butanoic acid AKOS030617923 FK 838 L004106 131185-37-0 AC1MHZMV D0EK6D 4-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-6H-pyridazin-1-yl]-butyric acid BDBM50079654 1(6H)-Pyridazinebutanoic acid, 6-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)- 6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazineboutanoic acid CHEMBL292917 LS-172794 3-[2-(3-carboxypropyl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine ACMC-20mtz5 DTXSID60156936 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoic acid C21H18N4O3 FKJPZJACCBMNKZ-UHFFFAOYSA-N [ Show all ]
Inchi Key	FKJPZJACCBMNKZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
PubChem CID	3035594
ChEMBL	CHEMBL292917
IUPHAR	N/A
BindingDB	50079654
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	10.0 nM	PMID20188574	BindingDB
Ki	10.2 nM	PMID20188574	ChEMBL

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